(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate

C15H19NO3 — CID 2407834

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H19NO3/c1-11-7-12(2)9-13(8-11)15(18)19-10-14(17)16-5-3-4-6-16/h7-9H,3-6,10H2,1-2H3
InChIKeyDBHLXFNWVCTZTH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.08
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate (PubChem CID 2407834) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate
PubChem CID2407834
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H19NO3/c1-11-7-12(2)9-13(8-11)15(18)19-10-14(17)16-5-3-4-6-16/h7-9H,3-6,10H2,1-2H3
InChIKeyDBHLXFNWVCTZTH-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate (CID 2407834) is (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate is Cc1cc(C)cc(C(=O)OCC(=O)N2CCCC2)c1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate?
The InChIKey is DBHLXFNWVCTZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-7-12(2)9-13(8-11)15(18)19-10-14(17)16-5-3-4-6-16/h7-9H,3-6,10H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate has a molecular weight of 261.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethylbenzoate is sourced from PubChem (CID 2407834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).